|
Search Results
|
|
|
|
You did not do a search!
|
|
|
|
|
|
|
|
Bookmarks
|
|
|
|
You could bookmark structures if you were logged in!
|
|
|
|
|
|
|
Details
|
|
|
|
13C Spectrum | 60003838
Rating: 10 (10: 10: nmrshiftdb2 quality check: accept/reliability: good (admin)) |
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 hose_lotusv7 |
1
|
S |
155.56 |
| 155.0 | 155.0 |
2
|
S |
116.56 |
| 116.2 | 116.2 |
3
|
S |
143.05 |
| 139.5 | 139.5 |
5
|
S |
160.49 |
| 161.0 | 161.0 |
6
|
S |
106.72 |
| 106.2 | 106.2 |
7
|
D |
122.50 |
| 123.0 | 123.0 |
8
|
D |
123.17 |
| 122.0 | 122.0 |
9
|
D |
131.80 |
| 131.0 | 130.99 |
10
|
D |
113.44 |
| 114.0 | 114.0 |
11
|
D |
117.41 |
| 117.9 | 117.9 |
12
|
D |
126.34 |
| 125.5 | 125.5 |
13
|
S |
79.34 |
| 78.8 | 78.8 |
16
|
Q |
29.53 |
| 28.2 | 28.2 |
17
|
Q |
27.30 |
| 29.2 | 28.73 |
18
|
Q |
29.30 |
| 29.2 | 28.73 |
|
|
Type: 13C
|
|
Atom |
Mult.(coupling const.) |
Prediction Shift |
| expt-0 ocmainz inhouse-2 | Prediction 1 acd_lotusv7 |
1
|
S |
155.00 |
| 155.0 | 155.56 |
2
|
S |
116.20 |
| 116.2 | 116.56 |
3
|
S |
139.50 |
| 139.5 | 143.05 |
5
|
S |
161.00 |
| 161.0 | 160.49 |
6
|
S |
106.20 |
| 106.2 | 106.72 |
7
|
D |
123.00 |
| 123.0 | 122.5 |
8
|
D |
122.00 |
| 122.0 | 123.17 |
9
|
D |
130.99 |
| 131.0 | 131.8 |
10
|
D |
114.00 |
| 114.0 | 113.44 |
11
|
D |
117.90 |
| 117.9 | 117.41 |
12
|
D |
125.50 |
| 125.5 | 126.34 |
13
|
S |
78.80 |
| 78.8 | 79.34 |
16
|
Q |
28.20 |
| 28.2 | 29.53 |
17
|
Q |
28.73 |
| 29.2 | 27.3 |
18
|
Q |
28.73 |
| 29.2 | 29.3 |
|
|
Report incorrect data
Copy molecule link
|
|
|
|
|
|
|
|